(2R)-5,5-dibutyl-6-oxopiperazine-2-carboxylic acid

C13H24N2O3 — CID 66617165

IUPAC(2R)-5,5-dibutyl-6-oxopiperazine-2-carboxylic acid
SMILESCCCCC1(CCCC)NC[C@H](C(=O)O)NC1=O
InChIInChI=1S/C13H24N2O3/c1-3-5-7-13(8-6-4-2)12(18)15-10(9-14-13)11(16)17/h10,14H,3-9H2,1-2H3,(H,15,18)(H,16,17)/t10-/m1/s1
InChIKeyAFGLKXMPOSKBRI-SNVBAGLBSA-N
MW256.35 g/mol
LogP1.28
Rot. Bonds7

About (2R)-5,5-dibutyl-6-oxopiperazine-2-carboxylic acid

(2R)-5,5-dibutyl-6-oxopiperazine-2-carboxylic acid (PubChem CID 66617165) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2R)-5,5-dibutyl-6-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-5,5-dibutyl-6-oxopiperazine-2-carboxylic acid
PubChem CID66617165
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(2R)-5,5-dibutyl-6-oxopiperazine-2-carboxylic acid
SMILESCCCCC1(CCCC)NC[C@H](C(=O)O)NC1=O
InChIInChI=1S/C13H24N2O3/c1-3-5-7-13(8-6-4-2)12(18)15-10(9-14-13)11(16)17/h10,14H,3-9H2,1-2H3,(H,15,18)(H,16,17)/t10-/m1/s1
InChIKeyAFGLKXMPOSKBRI-SNVBAGLBSA-N
XLogP1.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-5,5-dibutyl-6-oxopiperazine-2-carboxylic acid?
The IUPAC name of (2R)-5,5-dibutyl-6-oxopiperazine-2-carboxylic acid (CID 66617165) is (2R)-5,5-dibutyl-6-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for (2R)-5,5-dibutyl-6-oxopiperazine-2-carboxylic acid?
The canonical SMILES for (2R)-5,5-dibutyl-6-oxopiperazine-2-carboxylic acid is CCCCC1(CCCC)NC[C@H](C(=O)O)NC1=O.
What is the InChIKey of (2R)-5,5-dibutyl-6-oxopiperazine-2-carboxylic acid?
The InChIKey is AFGLKXMPOSKBRI-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-5-7-13(8-6-4-2)12(18)15-10(9-14-13)11(16)17/h10,14H,3-9H2,1-2H3,(H,15,18)(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-5,5-dibutyl-6-oxopiperazine-2-carboxylic acid?
(2R)-5,5-dibutyl-6-oxopiperazine-2-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5,5-dibutyl-6-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 66617165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).